#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3knj n ASN 3 N 0.00 -0.17 0.00 1.61 6.94 -1.26 -5.14 115.26 117.24 3knj n ASN 3 Ca 0.00 -1.42 0.00 0.00 -0.02 0.00 0.00 54.58 53.14 3knj n ASN 3 Cb 0.00 0.37 0.00 0.00 -2.36 0.00 0.00 39.78 37.79 3knj n ASN 3 CO 0.00 0.00 0.00 0.29 -1.03 0.00 0.00 177.26 176.52 3knj n LYS 4 N -0.12 0.00 -0.72 -3.83 5.02 -1.26 -5.09 118.16 112.16 3knj n LYS 4 Ca 0.01 0.00 -0.29 0.00 -2.02 0.00 0.00 58.31 56.01 3knj n LYS 4 Cb 0.12 0.00 0.25 0.00 -0.02 0.00 0.00 35.03 35.38 3knj n LYS 4 CO 0.00 0.00 0.00 0.96 -0.52 0.00 0.00 177.40 177.84 3knj s ILE 5 N -0.75 1.70 -0.65 -0.18 -5.25 -1.26 -4.98 121.20 109.82 3knj s ILE 5 Ca 0.00 0.00 -0.14 0.00 -0.99 0.00 0.00 60.65 59.52 3knj s ILE 5 Cb 0.00 -2.23 0.16 0.00 2.95 0.00 0.00 42.46 43.34 3knj s ILE 5 CO 0.00 0.00 0.59 -2.28 -1.79 0.00 0.00 174.94 171.46 3knj s HIS 6 N -2.61 3.46 0.00 1.37 5.65 -1.26 -4.95 115.29 116.95 3knj s HIS 6 Ca 0.68 -1.63 0.00 0.00 0.25 0.00 0.00 55.06 54.36 3knj s HIS 6 Cb -0.17 -3.77 0.00 0.00 -1.18 0.00 0.00 32.58 27.45 3knj s HIS 6 CO 0.60 -1.00 0.19 -0.35 -0.65 0.00 0.00 174.74 173.52 3knj n PRO 7 N 4.70 0.00 -0.04 2.88 -0.04 -1.26 -1.91 135.00 139.33 3knj n PRO 7 Ca -0.02 0.00 -0.03 0.00 -0.04 0.00 0.00 63.50 63.40 3knj n PRO 7 Cb 0.43 -1.15 -0.01 0.00 -0.04 0.00 0.00 33.50 32.73 3knj n PRO 7 CO 0.00 0.00 0.00 -0.89 -0.04 0.00 0.00 175.50 174.57 3knj n ILE 8 N -0.51 0.68 -0.16 0.52 2.08 -1.26 -4.31 119.36 116.39 3knj n ILE 8 Ca 0.00 0.35 0.29 0.00 0.56 0.00 0.00 62.75 63.95 3knj n ILE 8 Cb 0.19 -1.91 0.69 0.00 -0.75 0.00 0.00 39.64 37.86 3knj n ILE 8 CO 0.00 0.00 0.00 1.23 0.56 0.00 0.00 176.55 178.34 3knj h GLY 9 N -0.47 0.00 2.00 7.39 0.00 -1.82 0.73 103.07 110.91 3knj h GLY 9 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 47.33 47.33 3knj h GLY 9 CO 0.00 0.00 0.00 -2.75 0.00 0.00 0.00 176.54 173.79 3knj h PHE 10 N 0.00 0.00 0.00 5.60 3.57 -1.77 -3.29 116.94 121.05 3knj h PHE 10 Ca 0.43 0.00 -0.35 0.00 3.53 0.00 0.00 57.97 61.58 3knj h PHE 10 Cb 2.01 0.00 -0.05 0.00 2.79 0.00 0.00 35.95 40.70 3knj h PHE 10 CO 0.00 0.00 -2.20 0.54 -2.23 0.00 0.00 178.31 174.42 3knj n ARG 11 N -2.99 0.47 0.00 1.11 5.12 0.23 -4.87 116.66 115.73 3knj n ARG 11 Ca 0.01 0.18 0.00 0.00 -1.93 0.00 0.00 57.85 56.11 3knj n ARG 11 Cb 0.33 -1.31 0.00 0.00 -1.16 0.00 0.00 32.46 30.32 3knj n ARG 11 CO 0.00 0.00 0.00 -0.11 -1.93 0.00 0.00 177.63 175.59 3knj n LEU 12 N -3.71 0.00 -0.32 0.55 -0.00 0.18 0.65 117.00 114.35 3knj n LEU 12 Ca -0.41 0.00 -0.11 0.00 -0.00 0.00 0.00 56.01 55.50 3knj n LEU 12 Cb 0.83 0.00 -0.09 0.00 -0.00 0.00 0.00 43.42 44.16 3knj n LEU 12 CO 0.08 0.00 0.49 1.23 -0.00 0.00 0.00 177.39 179.18 3knj h GLY 13 N 0.00 -1.04 0.00 -3.96 0.00 -1.83 -3.36 103.07 92.88 3knj h GLY 13 Ca 0.00 0.81 0.00 0.00 0.00 0.00 0.00 47.33 48.14 3knj h GLY 13 CO 0.00 -0.08 0.00 4.51 0.00 0.00 0.00 176.54 180.97 3knj n ILE 14 N -5.06 0.00 0.00 2.60 3.06 0.21 -4.86 119.36 115.31 3knj n ILE 14 Ca 0.01 0.00 0.00 0.00 -2.50 0.00 0.00 62.75 60.26 3knj n ILE 14 Cb 0.25 0.00 0.00 0.00 0.54 0.00 0.00 39.64 40.43 3knj n ILE 14 CO 0.00 0.00 0.00 0.41 -2.50 0.00 0.00 176.55 174.46 3knj n THR 15 N 0.00 0.00 -1.78 9.51 -1.04 -1.25 -4.39 114.28 115.32 3knj n THR 15 Ca 0.00 0.00 -0.42 0.00 -2.04 0.00 0.00 64.05 61.59 3knj n THR 15 Cb 0.00 0.00 -0.02 0.00 -1.82 0.00 0.00 70.33 68.49 3knj n THR 15 CO 0.00 0.00 0.00 -0.60 -0.64 0.00 0.00 175.07 173.83 3knj s ARG 16 N 0.00 4.13 0.12 -2.82 6.06 -1.26 -4.94 118.95 120.25 3knj s ARG 16 Ca 0.00 2.56 -0.11 0.00 -2.50 0.00 0.00 55.73 55.68 3knj s ARG 16 Cb 0.00 -3.05 -0.06 0.00 0.06 0.00 0.00 34.95 31.90 3knj s ARG 16 CO 0.00 -0.65 0.46 0.34 -2.50 0.00 0.00 175.30 172.95 3knj s ASP 17 N 0.70 6.69 0.35 -2.12 3.68 -1.26 -4.00 116.67 120.70 3knj s ASP 17 Ca 0.66 0.88 -0.26 0.00 2.13 0.00 0.00 52.55 55.96 3knj s ASP 17 Cb -0.48 -2.21 -0.13 0.00 -1.45 0.00 0.00 42.92 38.65 3knj s ASP 17 CO 0.43 0.12 1.00 0.79 0.13 0.00 0.00 175.17 177.63 3knj n TRP 18 N 0.70 1.19 -0.25 -5.34 8.01 -1.26 -4.82 117.44 115.67 3knj n TRP 18 Ca -0.06 0.64 -0.05 0.00 -1.31 0.00 0.00 57.50 56.72 3knj n TRP 18 Cb 0.52 -2.24 0.18 0.00 -2.01 0.00 0.00 31.31 27.77 3knj n TRP 18 CO 0.00 0.00 0.00 -1.91 -1.01 0.00 0.00 177.69 174.77 3knj n GLU 19 N 0.50 2.61 0.00 -0.99 2.13 -1.26 -4.68 120.64 118.95 3knj n GLU 19 Ca 0.09 -1.88 0.00 0.00 0.66 0.00 0.00 57.16 56.03 3knj n GLU 19 Cb 0.35 -1.85 0.00 0.00 0.27 0.00 0.00 31.44 30.21 3knj n GLU 19 CO 0.00 0.00 0.00 0.45 -0.41 0.00 0.00 177.13 177.17 3knj n SER 20 N -0.04 0.00 -3.87 4.31 2.88 -1.26 -3.75 113.62 111.89 3knj n SER 20 Ca 0.26 0.00 -0.23 0.00 -1.33 0.00 0.00 58.87 57.58 3knj n SER 20 Cb 1.02 0.00 -0.17 0.00 -0.75 0.00 0.00 64.21 64.31 3knj n SER 20 CO 0.00 0.00 0.00 0.00 -1.23 0.00 0.00 175.04 173.81 3knj s ARG 21 N 0.00 1.00 0.00 -1.46 3.03 -1.13 -4.92 118.95 115.47 3knj s ARG 21 Ca 0.00 -0.10 0.00 0.00 2.03 0.00 0.00 55.73 57.66 3knj s ARG 21 Cb 0.00 -1.09 0.00 0.00 -1.03 0.00 0.00 34.95 32.83 3knj s ARG 21 CO 0.00 -0.17 0.00 -2.67 -1.13 0.00 0.00 175.30 171.33 3knj n TRP 22 N 4.53 0.00 -0.78 5.89 4.27 -1.26 -4.30 117.44 125.78 3knj n TRP 22 Ca -0.17 0.00 -0.34 0.00 -3.89 0.00 0.00 57.50 53.10 3knj n TRP 22 Cb 0.50 0.00 0.13 0.00 -1.36 0.00 0.00 31.31 30.58 3knj n TRP 22 CO 0.00 0.00 0.00 0.98 -2.29 0.00 0.00 177.69 176.38 3knj n TYR 23 N 0.00 -1.77 -3.59 -2.67 9.36 -1.26 -5.03 117.16 112.20 3knj n TYR 23 Ca 0.00 0.22 -0.12 0.00 3.32 0.00 0.00 57.90 61.32 3knj n TYR 23 Cb 0.00 -1.59 -0.06 0.00 -0.63 0.00 0.00 39.34 37.06 3knj n TYR 23 CO 0.00 0.00 0.00 0.00 0.22 0.00 0.00 176.86 177.08 3knj s ALA 24 N -2.23 -1.90 1.22 2.98 0.00 -1.26 -5.00 121.76 115.57 3knj s ALA 24 Ca 0.52 1.67 -0.20 0.00 0.00 0.00 0.00 51.96 53.95 3knj s ALA 24 Cb -0.12 -0.85 0.29 0.00 0.00 0.00 0.00 23.12 22.45 3knj s ALA 24 CO 0.68 -0.30 1.11 0.20 0.00 0.00 0.00 175.76 177.45 3knj s GLY 25 N -0.56 1.58 -0.20 0.00 0.00 -1.26 -4.97 107.32 101.91 3knj s GLY 25 Ca -0.02 -0.98 0.13 0.00 0.00 0.00 0.00 44.72 43.85 3knj s GLY 25 CO 0.01 -0.08 -0.01 0.58 0.00 0.00 0.00 173.10 173.60 3knj n LYS 26 N -4.81 0.80 0.25 2.90 2.85 -1.26 -3.67 118.16 115.22 3knj n LYS 26 Ca 0.14 0.03 0.10 0.00 -1.05 0.00 0.00 58.31 57.53 3knj n LYS 26 Cb 0.60 -1.49 0.66 0.00 -0.65 0.00 0.00 35.03 34.15 3knj n LYS 26 CO 0.00 0.00 0.00 0.87 -0.05 0.00 0.00 177.40 178.22 3knj h LYS 27 N 0.00 0.00 -2.08 -1.58 1.57 -2.06 -3.28 116.57 109.13 3knj h LYS 27 Ca -0.53 0.00 -0.57 0.00 -1.87 0.00 0.00 60.65 57.68 3knj h LYS 27 Cb 2.10 0.00 -0.40 0.00 0.08 0.00 0.00 32.23 34.01 3knj h LYS 27 CO -0.00 0.14 -0.92 1.04 -0.57 0.00 0.00 179.45 179.14 3knj n GLN 28 N -3.85 1.34 -0.02 3.15 6.02 -1.26 -4.77 117.38 117.99 3knj n GLN 28 Ca -0.02 -3.73 -0.03 0.00 -0.01 0.00 0.00 57.00 53.21 3knj n GLN 28 Cb 0.24 -1.59 -0.02 0.00 1.02 0.00 0.00 30.24 29.89 3knj n GLN 28 CO 0.00 0.00 0.00 0.98 -1.01 0.00 0.00 177.06 177.03 3knj n TYR 29 N 1.24 0.00 0.31 1.08 -0.00 -1.24 -4.11 117.16 114.44 3knj n TYR 29 Ca 0.24 0.00 -0.18 0.00 -0.00 0.00 0.00 57.90 57.96 3knj n TYR 29 Cb 0.49 -0.16 -0.09 0.00 -0.00 0.00 0.00 39.34 39.57 3knj n TYR 29 CO 0.00 0.00 0.00 -0.09 -0.00 0.00 0.00 176.86 176.77 3knj h ARG 30 N 0.00 -0.96 -0.37 2.98 2.43 -1.86 1.21 114.38 117.81 3knj h ARG 30 Ca -0.09 0.07 0.11 0.00 -0.81 0.00 0.00 59.98 59.25 3knj h ARG 30 Cb 1.15 0.22 -0.01 0.00 -0.42 0.00 0.00 29.97 30.90 3knj h ARG 30 CO -0.01 -0.64 0.32 0.45 -1.51 0.00 0.00 179.97 178.58 3knj h HIS 31 N -1.00 0.00 0.00 2.20 3.86 -1.89 0.67 115.15 118.99 3knj h HIS 31 Ca -0.06 0.00 -0.15 0.00 -1.16 0.00 0.00 60.37 59.00 3knj h HIS 31 Cb 0.86 0.00 -0.02 0.00 1.06 0.00 0.00 27.41 29.31 3knj h HIS 31 CO -0.22 0.00 -0.75 -0.07 0.86 0.00 0.00 177.93 177.75 3knj h LEU 32 N 0.00 0.00 0.00 2.43 3.38 -0.88 -3.14 115.31 117.09 3knj h LEU 32 Ca 0.18 0.00 -0.09 0.00 0.09 0.00 0.00 57.88 58.06 3knj h LEU 32 Cb 0.82 0.00 -0.01 0.00 0.09 0.00 0.00 40.66 41.56 3knj h LEU 32 CO -0.00 0.70 -0.64 0.25 0.09 0.00 0.00 178.44 178.83 3knj h LEU 33 N 0.00 0.00 -0.90 1.67 5.85 0.46 -3.27 115.31 119.11 3knj h LEU 33 Ca -0.02 -0.32 0.22 0.00 0.84 0.00 0.00 57.88 58.60 3knj h LEU 33 Cb 1.55 0.00 -0.12 0.00 0.37 0.00 0.00 40.66 42.45 3knj h LEU 33 CO 0.09 1.02 0.41 0.25 -0.34 0.00 0.00 178.44 179.87 3knj h LEU 34 N -1.00 0.36 -1.29 2.25 6.46 0.01 0.96 115.31 123.05 3knj h LEU 34 Ca -0.13 0.15 -0.03 0.00 -0.12 0.00 0.00 57.88 57.75 3knj h LEU 34 Cb 0.80 0.12 -0.00 0.00 -0.73 0.00 0.00 40.66 40.84 3knj h LEU 34 CO -0.08 0.01 -0.16 -0.08 -0.62 0.00 0.00 178.44 177.51 3knj h GLU 35 N 0.42 0.00 0.00 1.25 4.81 -1.72 -3.04 114.58 116.30 3knj h GLU 35 Ca 0.56 0.00 0.00 0.00 -0.13 0.00 0.00 59.36 59.79 3knj h GLU 35 Cb 1.06 0.00 0.00 0.00 0.63 0.00 0.00 28.75 30.44 3knj h GLU 35 CO -0.52 0.16 0.00 -3.47 -0.73 0.00 0.00 179.01 174.45 3knj n ASP 36 N -3.35 0.61 -0.13 1.04 4.64 0.33 -3.68 116.55 116.01 3knj n ASP 36 Ca -0.00 0.58 -0.23 0.00 -1.38 0.00 0.00 54.79 53.76 3knj n ASP 36 Cb 0.38 -0.74 -0.11 0.00 -1.04 0.00 0.00 41.12 39.62 3knj n ASP 36 CO 0.00 0.00 0.00 0.00 -0.82 0.00 0.00 177.20 176.38 3knj n GLN 37 N -2.10 0.59 0.22 -0.67 1.13 -1.10 -4.12 117.38 111.33 3knj n GLN 37 Ca 0.05 0.20 0.10 0.00 -1.94 0.00 0.00 57.00 55.41 3knj n GLN 37 Cb 0.35 -1.47 0.55 0.00 0.11 0.00 0.00 30.24 29.77 3knj n GLN 37 CO 0.00 0.00 0.00 0.07 -1.44 0.00 0.00 177.06 175.69 3knj h ARG 38 N -0.49 0.00 0.15 -1.09 0.11 -1.66 0.85 114.38 112.24 3knj h ARG 38 Ca -0.62 0.00 -0.01 0.00 0.10 0.00 0.00 59.98 59.45 3knj h ARG 38 Cb 1.73 0.00 0.00 0.00 1.11 0.00 0.00 29.97 32.81 3knj h ARG 38 CO -0.25 0.00 -0.07 0.82 0.10 0.00 0.00 179.97 180.57 3knj h ILE 39 N 0.00 0.52 0.00 0.08 2.04 -1.74 -2.61 117.51 115.80 3knj h ILE 39 Ca 0.00 -1.13 0.00 0.00 1.00 0.00 0.00 64.86 64.73 3knj h ILE 39 Cb 0.54 0.92 0.00 0.00 -0.74 0.00 0.00 36.82 37.54 3knj h ILE 39 CO 0.00 0.15 0.00 0.54 0.00 0.00 0.00 178.15 178.84 3knj n ARG 40 N -4.89 0.65 -0.04 2.37 1.74 0.27 -0.67 116.66 116.09 3knj n ARG 40 Ca -0.05 0.00 -0.07 0.00 -0.77 0.00 0.00 57.85 56.96 3knj n ARG 40 Cb 0.20 -1.22 -0.02 0.00 -1.02 0.00 0.00 32.46 30.40 3knj n ARG 40 CO 0.00 0.00 0.00 0.41 -1.52 0.00 0.00 177.63 176.52 3knj n GLY 41 N 0.54 -0.31 0.12 -0.13 0.00 0.22 -4.32 105.19 101.30 3knj n GLY 41 Ca 0.00 -0.17 -0.02 0.00 0.00 0.00 0.00 46.02 45.83 3knj n GLY 41 CO 0.00 0.00 0.00 1.41 0.00 0.00 0.00 173.32 174.73 3knj h LEU 42 N -0.56 0.00 0.00 0.99 4.07 -1.01 -3.16 115.31 115.64 3knj h LEU 42 Ca -0.06 0.00 0.00 0.00 0.08 0.00 0.00 57.88 57.90 3knj h LEU 42 Cb 0.67 0.00 0.00 0.00 1.08 0.00 0.00 40.66 42.41 3knj h LEU 42 CO -0.03 0.70 0.00 0.18 -1.08 0.00 0.00 178.44 178.21 3knj n LEU 43 N -3.46 0.07 0.18 1.67 4.77 0.16 -1.65 117.00 118.74 3knj n LEU 43 Ca 0.00 0.66 0.06 0.00 -0.03 0.00 0.00 56.01 56.70 3knj n LEU 43 Cb 0.75 -0.18 0.30 0.00 -2.33 0.00 0.00 43.42 41.96 3knj n LEU 43 CO 0.43 -0.18 0.81 -0.33 -1.33 0.00 0.00 177.39 176.79 3knj h GLU 44 N 0.00 0.00 0.00 3.23 5.08 -1.75 0.12 114.58 121.26 3knj h GLU 44 Ca 0.00 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.36 3knj h GLU 44 Cb 0.00 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.25 3knj h GLU 44 CO 0.00 0.00 0.00 1.63 -1.00 0.00 0.00 179.01 179.64 3knj n LYS 45 N -2.05 0.00 0.00 2.33 5.02 -1.15 -3.53 118.16 118.79 3knj n LYS 45 Ca -0.01 0.00 0.00 0.00 -2.02 0.00 0.00 58.31 56.28 3knj n LYS 45 Cb 0.43 -0.14 0.00 0.00 -0.02 0.00 0.00 35.03 35.30 3knj n LYS 45 CO 0.00 0.00 0.00 0.39 -0.52 0.00 0.00 177.40 177.27 3knj n GLU 46 N -0.34 0.45 0.00 1.97 1.02 -0.66 -1.70 120.64 121.38 3knj n GLU 46 Ca 0.00 0.00 0.00 0.00 -0.02 0.00 0.00 57.16 57.14 3knj n GLU 46 Cb 0.00 -1.25 0.00 0.00 -0.02 0.00 0.00 31.44 30.17 3knj n GLU 46 CO 0.00 0.00 0.00 -0.11 1.18 0.00 0.00 177.13 178.20 3knj n LEU 47 N 0.51 0.00 0.29 -4.62 7.94 0.40 -4.70 117.00 116.83 3knj n LEU 47 Ca 0.00 -0.08 0.16 0.00 -1.11 0.00 0.00 56.01 54.98 3knj n LEU 47 Cb 0.16 0.00 0.91 0.00 0.53 0.00 0.00 43.42 45.02 3knj n LEU 47 CO 0.00 0.00 1.08 0.22 -1.11 0.00 0.00 177.39 177.58 3knj h TYR 48 N 0.00 0.00 -0.02 1.96 3.20 -1.37 0.59 116.97 121.33 3knj h TYR 48 Ca 0.00 0.00 0.01 0.00 3.14 0.00 0.00 58.73 61.88 3knj h TYR 48 Cb 0.00 0.00 -0.03 0.00 1.54 0.00 0.00 36.73 38.24 3knj h TYR 48 CO 0.00 0.04 -0.24 0.77 -1.64 0.00 0.00 178.16 177.09 3knj h SER 49 N 0.00 -0.75 0.71 -2.11 0.02 -1.84 -2.89 113.55 106.69 3knj h SER 49 Ca -0.00 0.08 -0.03 0.00 -0.84 0.00 0.00 61.79 61.00 3knj h SER 49 Cb 0.15 0.28 0.01 0.00 0.14 0.00 0.00 62.40 62.98 3knj h SER 49 CO 0.01 -0.23 -0.35 0.00 -1.14 0.00 0.00 176.83 175.12 3knj h ALA 50 N -1.00 -1.25 0.00 3.77 0.00 -1.66 -3.49 119.26 115.63 3knj h ALA 50 Ca 0.01 -0.21 0.00 0.00 0.00 0.00 0.00 54.91 54.71 3knj h ALA 50 Cb 0.32 0.39 0.00 0.00 0.00 0.00 0.00 17.79 18.49 3knj h ALA 50 CO -0.17 -1.19 0.00 0.41 0.00 0.00 0.00 179.25 178.30 3knj n GLY 51 N -1.48 2.37 4.00 0.00 0.00 0.11 -4.79 105.19 105.40 3knj n GLY 51 Ca -0.12 -0.74 -0.17 0.00 0.00 0.00 0.00 46.02 44.99 3knj n GLY 51 CO 0.00 0.00 0.00 0.48 0.00 0.00 0.00 173.32 173.80 3knj s LEU 52 N 0.00 3.62 0.00 0.99 2.34 -1.26 -3.74 118.68 120.63 3knj s LEU 52 Ca 0.00 -0.46 0.00 0.00 0.06 0.00 0.00 54.13 53.73 3knj s LEU 52 Cb 0.00 -2.58 0.00 0.00 -0.56 0.00 0.00 46.19 43.05 3knj s LEU 52 CO 0.00 -0.78 0.00 0.00 -1.06 0.00 0.00 176.35 174.51 3knj n ALA 53 N -1.85 0.00 -3.39 1.48 0.00 -1.26 -4.74 120.51 110.75 3knj n ALA 53 Ca 0.08 0.00 -0.12 0.00 0.00 0.00 0.00 53.44 53.40 3knj n ALA 53 Cb 0.59 0.00 -0.02 0.00 0.00 0.00 0.00 19.45 20.02 3knj n ALA 53 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 177.50 178.00 3knj s ARG 54 N 0.00 1.25 -0.45 0.00 3.52 -1.26 -4.87 118.95 117.14 3knj s ARG 54 Ca 0.00 -0.45 0.07 0.00 -0.13 0.00 0.00 55.73 55.22 3knj s ARG 54 Cb 0.00 0.57 0.30 0.00 -1.56 0.00 0.00 34.95 34.27 3knj s ARG 54 CO 0.00 -0.53 0.96 0.28 -0.81 0.00 0.00 175.30 175.20 3knj n VAL 55 N -0.29 -0.08 -1.52 7.11 0.31 -1.26 -2.98 118.33 119.63 3knj n VAL 55 Ca -0.17 -2.20 -0.39 0.00 -0.01 0.00 0.00 64.34 61.57 3knj n VAL 55 Cb 0.64 0.97 0.04 0.00 -0.91 0.00 0.00 33.84 34.57 3knj n VAL 55 CO 0.00 0.00 0.00 -0.67 -1.32 0.00 0.00 176.83 174.84 3knj n ASP 56 N 0.69 -0.34 -3.51 4.52 2.03 -1.22 -4.73 116.55 113.98 3knj n ASP 56 Ca 0.11 0.80 -0.24 0.00 0.52 0.00 0.00 54.79 55.98 3knj n ASP 56 Cb 0.67 -1.24 -0.14 0.00 -0.72 0.00 0.00 41.12 39.69 3knj n ASP 56 CO 0.00 0.00 0.00 -0.63 -1.92 0.00 0.00 177.20 174.65 3knj s ILE 57 N -1.60 -0.19 0.43 5.18 1.01 -1.25 -2.74 121.20 122.04 3knj s ILE 57 Ca 0.69 -0.48 0.07 0.00 0.00 0.00 0.00 60.65 60.94 3knj s ILE 57 Cb -0.47 -0.85 -0.02 0.00 0.01 0.00 0.00 42.46 41.13 3knj s ILE 57 CO 0.53 -0.50 0.36 -1.61 0.00 0.00 0.00 174.94 173.72 3knj s GLU 58 N 2.20 2.46 0.00 2.79 2.02 -1.26 -2.86 118.70 124.05 3knj s GLU 58 Ca 0.07 -1.63 0.00 0.00 0.02 0.00 0.00 54.97 53.43 3knj s GLU 58 Cb -0.15 -2.30 0.00 0.00 0.10 0.00 0.00 34.13 31.78 3knj s GLU 58 CO -0.27 -0.23 0.00 0.54 0.02 0.00 0.00 175.26 175.32 3knj n ARG 59 N -1.53 0.00 0.00 1.61 1.74 -1.25 -2.31 116.66 114.91 3knj n ARG 59 Ca 0.03 0.00 0.00 0.00 -0.77 0.00 0.00 57.85 57.11 3knj n ARG 59 Cb 0.62 0.00 0.00 0.00 -1.02 0.00 0.00 32.46 32.06 3knj n ARG 59 CO 0.00 0.00 0.00 0.00 -1.52 0.00 0.00 177.63 176.11 3knj n ALA 60 N -3.00 0.00 -3.29 7.54 0.00 -1.24 -4.90 120.51 115.62 3knj n ALA 60 Ca 0.00 0.00 -0.25 0.00 0.00 0.00 0.00 53.44 53.19 3knj n ALA 60 Cb 0.00 0.00 -0.07 0.00 0.00 0.00 0.00 19.45 19.38 3knj n ALA 60 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 3knj n ALA 61 N 0.00 3.38 -1.40 0.00 0.00 -1.26 -4.86 120.51 116.38 3knj n ALA 61 Ca 0.00 -4.18 0.00 0.00 0.00 0.00 0.00 53.44 49.26 3knj n ALA 61 Cb 0.00 -0.86 0.00 0.00 0.00 0.00 0.00 19.45 18.59 3knj n ALA 61 CO 0.00 0.00 0.00 -0.25 0.00 0.00 0.00 177.50 177.25 3knj n ASP 62 N 0.97 -1.86 -3.63 0.00 9.92 -1.26 -5.09 116.55 115.59 3knj n ASP 62 Ca 0.26 0.00 -0.14 0.00 -0.53 0.00 0.00 54.79 54.38 3knj n ASP 62 Cb 0.47 -0.57 -0.07 0.00 -0.64 0.00 0.00 41.12 40.30 3knj n ASP 62 CO 0.00 0.00 0.00 0.54 0.13 0.00 0.00 177.20 177.87 3knj s ASN 63 N -2.72 -0.70 0.08 -2.24 4.22 -1.26 -4.21 114.94 108.11 3knj s ASN 63 Ca 0.00 1.31 0.01 0.00 -2.14 0.00 0.00 52.86 52.04 3knj s ASN 63 Cb 0.00 1.31 -0.04 0.00 1.28 0.00 0.00 41.25 43.81 3knj s ASN 63 CO 0.00 -0.27 -0.06 0.68 -2.04 0.00 0.00 177.10 175.41 3knj s VAL 64 N 0.22 0.59 -0.09 3.54 -7.23 -1.13 -3.59 120.40 112.70 3knj s VAL 64 Ca -0.01 -1.70 -0.12 0.00 -1.81 0.00 0.00 61.98 58.34 3knj s VAL 64 Cb -0.04 -1.38 -0.04 0.00 0.56 0.00 0.00 36.38 35.47 3knj s VAL 64 CO 0.02 -0.77 -0.23 0.00 -0.31 0.00 0.00 175.10 173.81 3knj n ALA 65 N 0.36 1.46 -3.42 1.32 0.00 -0.98 -3.17 120.51 116.08 3knj n ALA 65 Ca -0.15 -0.56 -0.17 0.00 0.00 0.00 0.00 53.44 52.57 3knj n ALA 65 Cb 0.59 0.09 0.02 0.00 0.00 0.00 0.00 19.45 20.16 3knj n ALA 65 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 177.50 177.78 3knj n VAL 66 N -4.08 -7.38 -3.01 0.00 0.31 -1.21 -2.04 118.33 100.92 3knj n VAL 66 Ca -0.09 -0.59 -0.43 0.00 -0.01 0.00 0.00 64.34 63.22 3knj n VAL 66 Cb 0.35 -5.30 -0.05 0.00 -0.91 0.00 0.00 33.84 27.92 3knj n VAL 66 CO 0.00 0.00 0.00 -0.89 -1.32 0.00 0.00 176.83 174.62 3knj s THR 67 N -3.20 4.65 -0.09 2.52 2.01 -1.11 -2.80 115.64 117.63 3knj s THR 67 Ca 0.22 -0.15 -0.25 0.00 0.31 0.00 0.00 61.69 61.82 3knj s THR 67 Cb -0.06 -4.41 -0.03 0.00 0.01 0.00 0.00 72.50 68.01 3knj s THR 67 CO 0.81 -0.95 0.80 -0.69 -0.69 0.00 0.00 174.62 173.90 3knj s VAL 68 N 3.24 4.95 -0.93 3.82 1.01 -0.15 -3.41 120.40 128.93 3knj s VAL 68 Ca 0.22 1.64 -0.01 0.00 0.00 0.00 0.00 61.98 63.83 3knj s VAL 68 Cb -0.16 -4.13 0.34 0.00 0.00 0.00 0.00 36.38 32.42 3knj s VAL 68 CO 0.15 0.16 1.85 1.41 0.00 0.00 0.00 175.10 178.67 3knj n HIS 69 N 4.29 2.92 -1.42 5.22 8.25 -1.16 -3.34 115.22 129.98 3knj n HIS 69 Ca 0.02 -2.55 -0.32 0.00 -0.26 0.00 0.00 57.72 54.61 3knj n HIS 69 Cb 0.50 -1.13 0.08 0.00 1.12 0.00 0.00 29.99 30.56 3knj n HIS 69 CO 0.00 0.00 0.00 0.08 0.64 0.00 0.00 176.34 177.06 3knj s VAL 70 N -4.66 3.02 -0.26 1.59 1.01 -1.23 -4.20 120.40 115.67 3knj s VAL 70 Ca 0.45 0.41 0.09 0.00 0.00 0.00 0.00 61.98 62.93 3knj s VAL 70 Cb 0.29 -2.87 0.45 0.00 0.00 0.00 0.00 36.38 34.25 3knj s VAL 70 CO -0.24 -0.36 1.20 0.00 0.00 0.00 0.00 175.10 175.70 3knj n ALA 71 N -3.05 4.44 -2.62 5.51 0.00 -1.25 -3.01 120.51 120.54 3knj n ALA 71 Ca 0.10 -3.57 -0.02 0.00 0.00 0.00 0.00 53.44 49.95 3knj n ALA 71 Cb 0.52 -0.35 0.08 0.00 0.00 0.00 0.00 19.45 19.69 3knj n ALA 71 CO 0.00 0.00 0.00 1.17 0.00 0.00 0.00 177.50 178.67 3knj n LYS 72 N -0.83 0.83 0.23 0.00 4.81 -1.26 -4.96 118.16 116.99 3knj n LYS 72 Ca 0.34 -0.88 0.09 0.00 -0.87 0.00 0.00 58.31 56.99 3knj n LYS 72 Cb 0.87 0.21 0.46 0.00 0.02 0.00 0.00 35.03 36.59 3knj n LYS 72 CO 0.00 0.00 0.00 -1.00 1.17 0.00 0.00 177.40 177.57 3knj h PRO 73 N 0.84 0.00 0.00 1.64 0.13 -1.96 -0.63 132.00 132.02 3knj h PRO 73 Ca -0.31 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.82 3knj h PRO 73 Cb 1.21 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.34 3knj h PRO 73 CO -0.12 0.00 0.00 0.41 -0.23 0.00 0.00 178.00 178.06 3knj n GLY 74 N -1.27 -0.03 0.25 1.56 0.00 -1.26 -2.38 105.19 102.06 3knj n GLY 74 Ca -0.01 -0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.00 3knj n GLY 74 CO 0.00 0.00 0.00 -0.62 0.00 0.00 0.00 173.32 172.70 3knj n VAL 75 N -0.87 0.00 -0.38 1.61 0.31 -0.24 -4.44 118.33 114.31 3knj n VAL 75 Ca 0.01 0.37 -0.00 0.00 -0.01 0.00 0.00 64.34 64.71 3knj n VAL 75 Cb 0.00 -1.37 0.05 0.00 -0.91 0.00 0.00 33.84 31.61 3knj n VAL 75 CO 0.00 0.00 0.00 1.33 -1.32 0.00 0.00 176.83 176.84 3knj n VAL 76 N -2.50 -0.51 0.00 2.52 0.24 -1.02 -3.26 118.33 113.80 3knj n VAL 76 Ca 0.00 2.31 0.00 0.00 -2.04 0.00 0.00 64.34 64.61 3knj n VAL 76 Cb 0.00 -3.07 0.00 0.00 -1.47 0.00 0.00 33.84 29.30 3knj n VAL 76 CO 0.00 0.00 0.00 -0.38 -2.14 0.00 0.00 176.83 174.31 3knj n ILE 77 N -5.48 0.00 0.00 1.34 5.41 -1.00 -2.68 119.36 116.96 3knj n ILE 77 Ca 0.11 1.15 0.00 0.00 1.00 0.00 0.00 62.75 65.01 3knj n ILE 77 Cb 0.41 -2.14 0.00 0.00 -0.71 0.00 0.00 39.64 37.20 3knj n ILE 77 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 176.55 177.16 3knj n GLY 78 N -0.62 3.01 3.43 7.39 0.00 -1.20 0.40 105.19 117.61 3knj n GLY 78 Ca 0.00 -2.01 -0.50 0.00 0.00 0.00 0.00 46.02 43.51 3knj n GLY 78 CO 0.00 0.00 0.00 -0.96 0.00 0.00 0.00 173.32 172.36 3knj n ARG 79 N -1.12 0.86 0.00 1.61 1.85 -1.26 0.10 116.66 118.70 3knj n ARG 79 Ca 0.00 0.21 0.00 0.00 -1.00 0.00 0.00 57.85 57.06 3knj n ARG 79 Cb 0.00 -2.35 0.00 0.00 -1.05 0.00 0.00 32.46 29.06 3knj n ARG 79 CO 0.00 0.00 0.00 0.41 -0.01 0.00 0.00 177.63 178.03 3knj n GLY 80 N 6.61 1.15 0.00 2.89 0.00 -1.26 -3.78 105.19 110.80 3knj n GLY 80 Ca 0.45 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.47 3knj n GLY 80 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 3knj n GLY 81 N 0.00 0.32 0.06 -0.02 0.00 0.28 -5.09 105.19 100.74 3knj n GLY 81 Ca 0.00 -0.56 0.01 0.00 0.00 0.00 0.00 46.02 45.47 3knj n GLY 81 CO 0.00 0.00 0.00 1.18 0.00 0.00 0.00 173.32 174.50 3knj n GLU 82 N 0.00 1.45 -0.09 1.61 1.02 -1.15 -4.68 120.64 118.79 3knj n GLU 82 Ca 0.00 -1.27 -0.21 0.00 -0.02 0.00 0.00 57.16 55.66 3knj n GLU 82 Cb 0.00 -0.85 -0.12 0.00 -0.02 0.00 0.00 31.44 30.45 3knj n GLU 82 CO 0.00 0.00 0.00 -0.09 1.18 0.00 0.00 177.13 178.22 3knj h ARG 83 N 0.00 0.02 0.00 3.49 9.65 -0.27 -3.34 114.38 123.93 3knj h ARG 83 Ca 0.00 -0.04 0.00 0.00 -1.10 0.00 0.00 59.98 58.84 3knj h ARG 83 Cb 0.83 0.01 0.00 0.00 -1.39 0.00 0.00 29.97 29.42 3knj h ARG 83 CO 0.00 1.02 0.00 1.51 2.80 0.00 0.00 179.97 185.30 3knj n ILE 84 N -4.39 1.09 0.08 1.20 3.06 -0.69 -1.25 119.36 118.46 3knj n ILE 84 Ca -0.29 0.53 -0.05 0.00 -2.50 0.00 0.00 62.75 60.43 3knj n ILE 84 Cb 0.68 -1.49 -0.04 0.00 0.54 0.00 0.00 39.64 39.33 3knj n ILE 84 CO 0.00 0.00 0.00 -0.09 -2.50 0.00 0.00 176.55 173.96 3knj h ARG 85 N 0.00 0.00 -0.61 9.51 9.65 -1.84 -2.38 114.38 128.70 3knj h ARG 85 Ca 0.00 0.00 0.00 0.00 -1.10 0.00 0.00 59.98 58.88 3knj h ARG 85 Cb 0.12 0.00 0.00 0.00 -1.39 0.00 0.00 29.97 28.70 3knj h ARG 85 CO 0.00 0.89 0.00 1.33 2.80 0.00 0.00 179.97 184.99 3knj n VAL 86 N -3.47 1.03 -0.08 0.20 0.24 -0.38 -3.95 118.33 111.92 3knj n VAL 86 Ca -0.00 -0.86 -0.16 0.00 -2.04 0.00 0.00 64.34 61.28 3knj n VAL 86 Cb 0.85 0.29 -0.07 0.00 -1.47 0.00 0.00 33.84 33.45 3knj n VAL 86 CO 0.00 0.00 0.00 0.18 -2.14 0.00 0.00 176.83 174.87 3knj n LEU 87 N 1.15 1.90 0.28 1.34 4.77 -1.07 -4.00 117.00 121.38 3knj n LEU 87 Ca 0.21 0.10 0.19 0.00 -0.03 0.00 0.00 56.01 56.47 3knj n LEU 87 Cb 0.59 -0.53 1.00 0.00 -2.33 0.00 0.00 43.42 42.14 3knj n LEU 87 CO 0.16 0.52 1.07 0.03 -1.33 0.00 0.00 177.39 177.83 3knj h ARG 88 N -0.38 0.00 0.00 3.23 3.08 -1.60 1.68 114.38 120.39 3knj h ARG 88 Ca -0.41 0.00 0.00 0.00 0.07 0.00 0.00 59.98 59.64 3knj h ARG 88 Cb 1.45 0.00 0.00 0.00 0.08 0.00 0.00 29.97 31.50 3knj h ARG 88 CO -0.19 0.00 0.00 -1.91 -1.07 0.00 0.00 179.97 176.80 3knj n GLU 89 N -2.82 0.02 -0.10 0.04 4.07 -1.25 -3.88 120.64 116.71 3knj n GLU 89 Ca -0.02 0.06 -0.16 0.00 -0.06 0.00 0.00 57.16 56.98 3knj n GLU 89 Cb 0.08 -1.53 -0.09 0.00 -0.06 0.00 0.00 31.44 29.84 3knj n GLU 89 CO 0.00 0.00 0.00 0.39 -0.06 0.00 0.00 177.13 177.46 3knj n GLU 90 N -1.56 0.48 -0.18 5.31 -0.58 0.57 -3.76 120.64 120.91 3knj n GLU 90 Ca 0.06 0.14 0.01 0.00 -0.42 0.00 0.00 57.16 56.95 3knj n GLU 90 Cb 0.32 -1.36 0.27 0.00 -0.57 0.00 0.00 31.44 30.10 3knj n GLU 90 CO 0.00 0.00 0.00 -0.07 -0.48 0.00 0.00 177.13 176.58 3knj h LEU 91 N -0.20 0.80 0.00 -4.62 3.38 -1.53 0.47 115.31 113.60 3knj h LEU 91 Ca -0.46 -0.02 0.00 0.00 0.09 0.00 0.00 57.88 57.48 3knj h LEU 91 Cb 1.62 -0.20 0.00 0.00 0.09 0.00 0.00 40.66 42.17 3knj h LEU 91 CO -0.14 0.58 -0.77 0.00 0.09 0.00 0.00 178.44 178.21 3knj h ALA 92 N 1.56 0.56 0.00 1.53 0.00 -1.71 -3.21 119.26 117.99 3knj h ALA 92 Ca 0.25 0.00 0.00 0.00 0.00 0.00 0.00 54.91 55.16 3knj h ALA 92 Cb -0.10 0.00 0.00 0.00 0.00 0.00 0.00 17.79 17.69 3knj h ALA 92 CO -0.05 0.00 0.20 -0.22 0.00 0.00 0.00 179.25 179.18 3knj h LYS 93 N 0.00 0.00 0.00 0.00 3.64 -0.99 0.30 116.57 119.52 3knj h LYS 93 Ca 0.00 0.00 -0.03 0.00 -1.27 0.00 0.00 60.65 59.35 3knj h LYS 93 Cb 0.87 0.00 -0.01 0.00 -0.41 0.00 0.00 32.23 32.69 3knj h LYS 93 CO 0.00 0.00 -1.20 1.47 -2.27 0.00 0.00 179.45 177.45 3knj n LEU 94 N -2.23 0.00 -3.74 5.20 -0.00 -1.20 -4.91 117.00 110.11 3knj n LEU 94 Ca -0.01 0.00 -0.30 0.00 -0.00 0.00 0.00 56.01 55.70 3knj n LEU 94 Cb 0.23 0.04 -0.15 0.00 -0.00 0.00 0.00 43.42 43.54 3knj n LEU 94 CO 0.08 0.04 -0.32 -0.89 -0.00 0.00 0.00 177.39 176.31 3knj s THR 95 N -2.16 0.98 -0.54 1.47 2.01 0.10 -5.05 115.64 112.46 3knj s THR 95 Ca -0.01 -1.59 -0.27 0.00 0.31 0.00 0.00 61.69 60.13 3knj s THR 95 Cb 0.02 -1.74 -0.09 0.00 0.01 0.00 0.00 72.50 70.70 3knj s THR 95 CO 0.14 -0.71 2.45 0.61 -0.69 0.00 0.00 174.62 176.42 3knj n GLY 96 N 4.64 0.12 3.55 4.40 0.00 -1.03 -4.06 105.19 112.81 3knj n GLY 96 Ca -0.00 0.71 -0.10 0.00 0.00 0.00 0.00 46.02 46.63 3knj n GLY 96 CO 0.00 0.00 0.00 1.25 0.00 0.00 0.00 173.32 174.57 3knj s LYS 97 N 8.34 1.43 -0.29 1.61 2.20 -1.26 -5.01 119.74 126.76 3knj s LYS 97 Ca 1.02 -0.69 -0.02 0.00 -0.36 0.00 0.00 55.97 55.92 3knj s LYS 97 Cb -0.30 0.58 -0.04 0.00 -1.51 0.00 0.00 37.83 36.56 3knj s LYS 97 CO 0.29 -0.63 1.46 -1.71 -0.36 0.00 0.00 175.35 174.40 3knj n ASN 98 N -0.39 2.03 -4.56 1.43 2.85 -1.26 -4.78 115.26 110.58 3knj n ASN 98 Ca -0.12 -2.02 -0.39 0.00 -0.11 0.00 0.00 54.58 51.93 3knj n ASN 98 Cb 0.63 -0.65 -0.03 0.00 1.24 0.00 0.00 39.78 40.97 3knj n ASN 98 CO 0.00 0.00 0.00 0.68 -2.11 0.00 0.00 177.26 175.83 3knj s VAL 99 N 3.65 3.31 0.00 3.44 -7.23 -1.26 -2.83 120.40 119.49 3knj s VAL 99 Ca 0.18 0.23 0.00 0.00 -1.81 0.00 0.00 61.98 60.59 3knj s VAL 99 Cb 0.06 -3.68 0.00 0.00 0.56 0.00 0.00 36.38 33.33 3knj s VAL 99 CO -0.01 -0.60 0.00 0.00 -0.31 0.00 0.00 175.10 174.18 3knj n ALA 100 N 12.67 0.00 0.00 1.32 0.00 -1.19 -4.88 120.51 128.43 3knj n ALA 100 Ca 0.24 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.68 3knj n ALA 100 Cb 0.51 0.00 0.00 0.00 0.00 0.00 0.00 19.45 19.96 3knj n ALA 100 CO 0.00 0.00 0.00 -0.11 0.00 0.00 0.00 177.50 177.39 3knj n LEU 101 N 0.00 0.00 -3.92 0.00 0.00 -0.87 -4.79 117.00 107.43 3knj n LEU 101 Ca 0.00 0.00 -0.09 0.00 0.00 0.00 0.00 56.01 55.92 3knj n LEU 101 Cb 0.00 0.00 -0.09 0.00 0.00 0.00 0.00 43.42 43.33 3knj n LEU 101 CO 0.00 0.00 -0.18 0.20 0.00 0.00 0.00 177.39 177.41 3knj s ASN 102 N 0.00 0.18 -0.36 1.96 0.01 -1.12 -4.99 114.94 110.62 3knj s ASN 102 Ca 0.00 -0.58 0.00 0.00 -0.71 0.00 0.00 52.86 51.57 3knj s ASN 102 Cb 0.00 0.26 0.14 0.00 0.41 0.00 0.00 41.25 42.06 3knj s ASN 102 CO 0.00 -0.58 0.23 -0.69 -1.51 0.00 0.00 177.10 174.55 3knj s VAL 103 N -3.03 0.13 0.34 1.60 1.01 -1.26 -0.98 120.40 118.21 3knj s VAL 103 Ca -0.01 -1.75 -0.04 0.00 0.00 0.00 0.00 61.98 60.18 3knj s VAL 103 Cb 0.01 -1.10 -0.04 0.00 0.00 0.00 0.00 36.38 35.25 3knj s VAL 103 CO -0.07 -0.99 0.60 -1.58 0.00 0.00 0.00 175.10 173.06 3knj s GLN 104 N 1.01 3.58 0.06 2.72 -0.44 -1.21 -4.97 119.66 120.40 3knj s GLN 104 Ca 0.19 -0.05 0.06 0.00 -2.50 0.00 0.00 55.36 53.07 3knj s GLN 104 Cb -0.20 -2.60 -0.04 0.00 -1.64 0.00 0.00 33.01 28.53 3knj s GLN 104 CO -0.01 0.12 -0.14 -2.00 0.50 0.00 0.00 175.29 173.76 3knj s GLU 105 N -3.98 2.16 0.11 1.67 2.12 -1.26 -3.57 118.70 115.95 3knj s GLU 105 Ca 0.44 -0.96 -0.31 0.00 0.36 0.00 0.00 54.97 54.50 3knj s GLU 105 Cb -0.10 -2.27 -0.07 0.00 0.26 0.00 0.00 34.13 31.95 3knj s GLU 105 CO 0.34 0.54 1.24 0.08 -0.54 0.00 0.00 175.26 176.92 3knj s VAL 106 N -1.03 3.75 0.08 3.70 1.01 -1.16 -4.97 120.40 121.77 3knj s VAL 106 Ca 0.17 1.31 -0.36 0.00 0.00 0.00 0.00 61.98 63.10 3knj s VAL 106 Cb -0.11 -3.84 -0.18 0.00 0.00 0.00 0.00 36.38 32.26 3knj s VAL 106 CO 0.08 0.13 1.57 1.56 0.00 0.00 0.00 175.10 178.45 3knj h GLN 107 N 6.37 -1.05 -4.62 2.72 7.50 -1.99 -3.40 115.11 120.64 3knj h GLN 107 Ca -0.42 0.07 -0.61 0.00 0.50 0.00 0.00 58.65 58.18 3knj h GLN 107 Cb 1.21 0.24 -0.37 0.00 0.05 0.00 0.00 27.48 28.62 3knj h GLN 107 CO 0.80 -0.70 -0.82 1.21 -1.50 0.00 0.00 178.83 177.83 3knj s ASN 108 N -4.29 3.14 0.49 1.46 3.84 -1.26 -5.01 114.94 113.32 3knj s ASN 108 Ca -0.18 -0.74 0.31 0.00 0.21 0.00 0.00 52.86 52.46 3knj s ASN 108 Cb 0.04 -1.22 1.21 0.00 -0.55 0.00 0.00 41.25 40.73 3knj s ASN 108 CO 0.61 -0.11 1.91 -0.65 -2.79 0.00 0.00 177.10 176.07 3knj h PRO 109 N 8.00 0.00 -0.01 0.43 0.11 -1.94 -3.12 132.00 135.48 3knj h PRO 109 Ca -0.32 0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.79 3knj h PRO 109 Cb 1.11 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.22 3knj h PRO 109 CO 0.50 0.00 0.00 0.09 -0.21 0.00 0.00 178.00 178.38 3knj n ASN 110 N -2.96 0.60 -0.15 -2.05 3.02 -1.26 -3.19 115.26 109.27 3knj n ASN 110 Ca 0.01 -1.22 0.08 0.00 -0.03 0.00 0.00 54.58 53.42 3knj n ASN 110 Cb 0.32 -0.00 0.12 0.00 -0.61 0.00 0.00 39.78 39.61 3knj n ASN 110 CO 0.00 0.00 0.00 0.18 -2.62 0.00 0.00 177.26 174.82 3knj n LEU 111 N -0.53 2.44 -3.84 3.41 4.77 -1.18 -4.67 117.00 117.41 3knj n LEU 111 Ca 0.22 -2.83 -0.30 0.00 -0.03 0.00 0.00 56.01 53.06 3knj n LEU 111 Cb 0.20 -0.35 -0.15 0.00 -2.33 0.00 0.00 43.42 40.79 3knj n LEU 111 CO 0.17 0.66 -0.34 -0.55 -1.33 0.00 0.00 177.39 176.00 3knj s SER 112 N -2.36 4.19 0.12 -1.43 0.15 -1.19 -4.85 113.70 108.33 3knj s SER 112 Ca 0.26 -1.71 -0.26 0.00 0.70 0.00 0.00 55.95 54.94 3knj s SER 112 Cb 0.23 -1.12 -0.07 0.00 -1.71 0.00 0.00 66.02 63.35 3knj s SER 112 CO 0.03 -0.38 1.63 0.00 1.20 0.00 0.00 173.24 175.73 3knj h ALA 113 N 7.93 -0.40 0.00 5.45 0.00 -1.83 -2.60 119.26 127.81 3knj h ALA 113 Ca -0.11 -0.02 0.00 0.00 0.00 0.00 0.00 54.91 54.78 3knj h ALA 113 Cb 1.03 0.45 0.00 0.00 0.00 0.00 0.00 17.79 19.27 3knj h ALA 113 CO 0.47 -0.78 0.27 -2.30 0.00 0.00 0.00 179.25 176.92 3knj n PRO 114 N -5.38 0.02 -0.03 0.00 -0.02 -1.26 0.05 135.00 128.38 3knj n PRO 114 Ca -0.06 0.33 -0.02 0.00 -2.02 0.00 0.00 63.50 61.73 3knj n PRO 114 Cb 0.29 -1.84 -0.01 0.00 -0.02 0.00 0.00 33.50 31.93 3knj n PRO 114 CO 0.00 0.00 0.00 1.28 1.98 0.00 0.00 175.50 178.76 3knj n LEU 115 N -1.43 0.63 0.05 2.45 4.77 -0.99 -3.21 117.00 119.26 3knj n LEU 115 Ca -0.00 0.29 0.22 0.00 -0.03 0.00 0.00 56.01 56.49 3knj n LEU 115 Cb 0.28 -0.61 0.70 0.00 -2.33 0.00 0.00 43.42 41.45 3knj n LEU 115 CO 0.01 -0.47 1.19 0.58 -1.33 0.00 0.00 177.39 177.38 3knj h VAL 116 N -0.34 0.30 0.23 4.08 2.07 -1.19 0.77 116.25 122.16 3knj h VAL 116 Ca 0.00 0.00 -0.01 0.00 0.82 0.00 0.00 66.70 67.51 3knj h VAL 116 Cb 0.23 0.54 0.00 0.00 -1.52 0.00 0.00 31.29 30.54 3knj h VAL 116 CO 0.00 0.00 -0.11 0.00 0.02 0.00 0.00 177.57 177.48 3knj h ALA 117 N 1.33 -0.57 -1.11 1.67 0.00 -0.56 -2.92 119.26 117.10 3knj h ALA 117 Ca 0.24 -0.07 0.32 0.00 0.00 0.00 0.00 54.91 55.40 3knj h ALA 117 Cb 1.38 0.12 -0.05 0.00 0.00 0.00 0.00 17.79 19.24 3knj h ALA 117 CO -0.00 -0.54 0.79 1.96 0.00 0.00 0.00 179.25 181.45 3knj h GLN 118 N -0.55 0.07 -0.04 0.00 4.20 -0.87 -0.23 115.11 117.69 3knj h GLN 118 Ca -0.03 -0.00 0.03 0.00 0.06 0.00 0.00 58.65 58.71 3knj h GLN 118 Cb 0.24 -0.02 -0.06 0.00 0.30 0.00 0.00 27.48 27.94 3knj h GLN 118 CO 0.05 0.05 -0.45 -0.09 -0.67 0.00 0.00 178.83 177.72 3knj h ARG 119 N 0.07 -0.56 -0.31 1.46 2.43 0.59 -3.14 114.38 114.93 3knj h ARG 119 Ca 0.55 0.04 -0.18 0.00 -0.81 0.00 0.00 59.98 59.58 3knj h ARG 119 Cb 2.04 0.13 -0.00 0.00 -0.42 0.00 0.00 29.97 31.71 3knj h ARG 119 CO -0.06 -0.37 -0.51 0.28 -1.51 0.00 0.00 179.97 177.79 3knj h VAL 120 N -0.58 1.27 -0.14 0.20 2.07 -0.86 -3.17 116.25 115.05 3knj h VAL 120 Ca 0.05 -1.69 0.04 0.00 0.82 0.00 0.00 66.70 65.91 3knj h VAL 120 Cb 0.67 1.58 -0.01 0.00 -1.52 0.00 0.00 31.29 32.01 3knj h VAL 120 CO -0.36 0.56 0.58 0.00 0.02 0.00 0.00 177.57 178.37 3knj h ALA 121 N 0.70 1.73 0.00 1.67 0.00 -1.43 -1.14 119.26 120.79 3knj h ALA 121 Ca 0.02 -0.00 -0.13 0.00 0.00 0.00 0.00 54.91 54.80 3knj h ALA 121 Cb 1.12 0.01 -0.02 0.00 0.00 0.00 0.00 17.79 18.90 3knj h ALA 121 CO 0.12 -0.65 -0.80 0.93 0.00 0.00 0.00 179.25 178.85 3knj h GLU 122 N 0.00 0.00 -1.00 0.00 5.08 -1.55 -3.12 114.58 113.99 3knj h GLU 122 Ca 0.06 0.00 0.24 0.00 -1.00 0.00 0.00 59.36 58.66 3knj h GLU 122 Cb 1.22 0.00 -0.09 0.00 0.50 0.00 0.00 28.75 30.38 3knj h GLU 122 CO -0.00 0.77 0.64 1.96 -1.00 0.00 0.00 179.01 181.37 3knj h GLN 123 N -1.00 0.48 -0.38 2.33 4.20 -1.31 0.41 115.11 119.85 3knj h GLN 123 Ca -0.20 -0.03 -0.07 0.00 0.06 0.00 0.00 58.65 58.41 3knj h GLN 123 Cb 1.02 -0.11 -0.01 0.00 0.30 0.00 0.00 27.48 28.68 3knj h GLN 123 CO -0.12 0.32 -0.04 0.82 -0.67 0.00 0.00 178.83 179.14 3knj h ILE 124 N 0.50 1.27 0.00 2.54 2.04 -1.50 -0.67 117.51 121.69 3knj h ILE 124 Ca 0.57 -1.08 0.00 0.00 1.00 0.00 0.00 64.86 65.35 3knj h ILE 124 Cb 1.28 1.21 0.00 0.00 -0.74 0.00 0.00 36.82 38.57 3knj h ILE 124 CO -0.31 0.36 0.00 -0.33 0.00 0.00 0.00 178.15 177.87 3knj h GLU 125 N 0.50 0.00 -0.74 2.37 5.08 -0.15 0.54 114.58 122.19 3knj h GLU 125 Ca 0.10 0.00 -0.21 0.00 -1.00 0.00 0.00 59.36 58.25 3knj h GLU 125 Cb 0.54 0.00 -0.12 0.00 0.50 0.00 0.00 28.75 29.66 3knj h GLU 125 CO 0.03 0.00 0.26 0.54 -1.00 0.00 0.00 179.01 178.84 3knj n ARG 126 N -2.40 3.80 -1.70 2.33 1.74 -0.66 -4.90 116.66 114.87 3knj n ARG 126 Ca -0.02 -3.11 -0.10 0.00 -0.77 0.00 0.00 57.85 53.86 3knj n ARG 126 Cb 0.04 -2.22 -0.03 0.00 -1.02 0.00 0.00 32.46 29.23 3knj n ARG 126 CO 0.00 0.00 0.00 0.54 -1.52 0.00 0.00 177.63 176.65 3knj n ARG 127 N -0.12 -1.62 -0.65 5.56 3.00 0.19 -4.90 116.66 118.12 3knj n ARG 127 Ca 0.41 0.56 -0.31 0.00 -0.01 0.00 0.00 57.85 58.50 3knj n ARG 127 Cb 1.39 -4.89 0.18 0.00 0.00 0.00 0.00 32.46 29.14 3knj n ARG 127 CO 0.00 0.00 0.00 1.19 0.00 0.00 0.00 177.63 178.82 3knj n PHE 128 N -2.21 0.23 -1.79 -1.55 3.01 -0.35 -4.81 117.46 110.00 3knj n PHE 128 Ca -0.11 0.28 -0.27 0.00 1.01 0.00 0.00 57.45 58.37 3knj n PHE 128 Cb 0.42 -1.92 -0.05 0.00 -0.01 0.00 0.00 39.48 37.93 3knj n PHE 128 CO 0.00 0.00 0.00 0.00 1.01 0.00 0.00 176.76 177.77 3knj s ALA 129 N -2.57 1.44 0.16 4.37 0.00 -1.26 -4.79 121.76 119.11 3knj s ALA 129 Ca 0.66 -0.78 -0.27 0.00 0.00 0.00 0.00 51.96 51.57 3knj s ALA 129 Cb -0.23 -4.47 0.01 0.00 0.00 0.00 0.00 23.12 18.43 3knj s ALA 129 CO 0.60 -4.92 1.56 0.28 0.00 0.00 0.00 175.76 173.28 3knj h VAL 130 N 7.42 0.06 -0.50 0.00 2.07 -1.95 -1.46 116.25 121.88 3knj h VAL 130 Ca -0.08 0.00 0.09 0.00 0.82 0.00 0.00 66.70 67.54 3knj h VAL 130 Cb 1.09 0.06 -0.08 0.00 -1.52 0.00 0.00 31.29 30.84 3knj h VAL 130 CO 1.14 0.00 0.05 -0.09 0.02 0.00 0.00 177.57 178.69 3knj h ARG 131 N -0.22 0.17 0.66 1.57 2.43 -2.02 -2.04 114.38 114.93 3knj h ARG 131 Ca 0.17 -0.01 -0.03 0.00 -0.81 0.00 0.00 59.98 59.30 3knj h ARG 131 Cb 0.55 -0.04 -0.01 0.00 -0.42 0.00 0.00 29.97 30.06 3knj h ARG 131 CO -0.72 0.11 -0.46 -0.09 -1.51 0.00 0.00 179.97 177.30 3knj h ARG 132 N 0.17 -1.03 -0.40 0.20 2.43 -1.81 -3.03 114.38 110.91 3knj h ARG 132 Ca 0.26 0.07 0.07 0.00 -0.81 0.00 0.00 59.98 59.57 3knj h ARG 132 Cb 0.37 0.23 -0.07 0.00 -0.42 0.00 0.00 29.97 30.08 3knj h ARG 132 CO -0.38 -0.69 -0.13 0.00 -1.51 0.00 0.00 179.97 177.27 3knj n ALA 133 N -2.71 0.02 -1.00 2.80 0.00 -0.61 -2.01 120.51 117.00 3knj n ALA 133 Ca -0.13 0.42 0.00 0.00 0.00 0.00 0.00 53.44 53.73 3knj n ALA 133 Cb 0.46 -0.22 0.00 0.00 0.00 0.00 0.00 19.45 19.69 3knj n ALA 133 CO 0.00 0.00 0.00 -0.89 0.00 0.00 0.00 177.50 176.61 3knj n ILE 134 N -4.62 0.00 -0.16 0.00 2.08 -1.08 0.73 119.36 116.30 3knj n ILE 134 Ca 0.05 0.83 0.29 0.00 0.56 0.00 0.00 62.75 64.48 3knj n ILE 134 Cb 0.18 -1.67 0.64 0.00 -0.75 0.00 0.00 39.64 38.04 3knj n ILE 134 CO 0.00 0.00 0.00 0.11 0.56 0.00 0.00 176.55 177.22 3knj h LYS 135 N 0.00 0.00 0.05 0.38 1.57 -1.58 0.44 116.57 117.42 3knj h LYS 135 Ca 0.00 0.00 -0.00 0.00 -1.87 0.00 0.00 60.65 58.78 3knj h LYS 135 Cb 0.00 0.00 0.00 0.00 0.08 0.00 0.00 32.23 32.31 3knj h LYS 135 CO 0.00 0.00 -0.02 0.37 -0.57 0.00 0.00 179.45 179.23 3knj h GLN 136 N 0.00 -0.06 0.00 3.15 4.15 -1.28 0.45 115.11 121.52 3knj h GLN 136 Ca 0.44 0.00 0.00 0.00 0.77 0.00 0.00 58.65 59.86 3knj h GLN 136 Cb 2.22 0.01 0.00 0.00 0.21 0.00 0.00 27.48 29.92 3knj h GLN 136 CO -0.00 0.58 0.00 0.00 -1.93 0.00 0.00 178.83 177.47 3knj n ALA 137 N -2.57 1.62 -0.04 3.38 0.00 0.22 -0.08 120.51 123.03 3knj n ALA 137 Ca -0.08 -0.04 -0.04 0.00 0.00 0.00 0.00 53.44 53.27 3knj n ALA 137 Cb 0.32 -1.14 -0.06 0.00 0.00 0.00 0.00 19.45 18.57 3knj n ALA 137 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 177.50 177.78 3knj n VAL 138 N -1.24 0.56 0.14 0.00 0.31 -0.18 -4.03 118.33 113.89 3knj n VAL 138 Ca 0.05 -0.33 0.00 0.00 -0.01 0.00 0.00 64.34 64.05 3knj n VAL 138 Cb 0.06 -0.79 0.15 0.00 -0.91 0.00 0.00 33.84 32.35 3knj n VAL 138 CO 0.00 0.00 0.00 -0.61 -1.32 0.00 0.00 176.83 174.90 3knj h GLN 139 N 0.00 0.00 0.00 5.55 5.75 0.49 -3.09 115.11 123.81 3knj h GLN 139 Ca -0.22 0.00 0.00 0.00 -0.15 0.00 0.00 58.65 58.28 3knj h GLN 139 Cb 1.48 0.00 0.00 0.00 1.07 0.00 0.00 27.48 30.03 3knj h GLN 139 CO 0.01 0.60 0.00 -2.13 -2.65 0.00 0.00 178.83 174.66 3knj n ARG 140 N -3.58 0.00 -0.29 1.69 0.63 0.88 -0.50 116.66 115.50 3knj n ARG 140 Ca -0.00 0.44 -0.06 0.00 -0.92 0.00 0.00 57.85 57.30 3knj n ARG 140 Cb 0.65 -1.41 -0.05 0.00 0.45 0.00 0.00 32.46 32.10 3knj n ARG 140 CO 0.00 0.00 0.00 0.28 -2.51 0.00 0.00 177.63 175.40 3knj n VAL 141 N -1.82 -0.45 0.24 5.15 0.31 -1.24 0.24 118.33 120.75 3knj n VAL 141 Ca 0.00 1.67 0.06 0.00 -0.01 0.00 0.00 64.34 66.06 3knj n VAL 141 Cb 0.00 -2.09 0.56 0.00 -0.91 0.00 0.00 33.84 31.40 3knj n VAL 141 CO 0.00 0.00 0.00 0.24 -1.32 0.00 0.00 176.83 175.75 3knj h MET 142 N 0.00 0.00 0.00 5.55 2.86 -1.57 -1.01 114.93 120.76 3knj h MET 142 Ca 0.13 -0.00 0.00 0.00 -2.06 0.00 0.00 59.70 57.77 3knj h MET 142 Cb 0.31 -0.00 0.00 0.00 0.06 0.00 0.00 31.60 31.97 3knj h MET 142 CO -0.66 0.11 0.00 -1.91 1.06 0.00 0.00 176.91 175.51 3knj n GLU 143 N -4.41 0.49 -1.57 1.72 2.13 0.65 -0.33 120.64 119.31 3knj n GLU 143 Ca -0.03 0.00 0.02 0.00 0.66 0.00 0.00 57.16 57.81 3knj n GLU 143 Cb 0.18 -1.02 0.07 0.00 0.27 0.00 0.00 31.44 30.94 3knj n GLU 143 CO 0.00 0.00 0.00 -1.13 -0.41 0.00 0.00 177.13 175.59 3knj n SER 144 N -0.52 1.55 -1.63 4.31 3.41 -0.38 -5.03 113.62 115.33 3knj n SER 144 Ca 0.00 -2.56 0.00 0.00 -0.26 0.00 0.00 58.87 56.06 3knj n SER 144 Cb 0.00 -0.39 0.00 0.00 -0.26 0.00 0.00 64.21 63.57 3knj n SER 144 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 3knj n GLY 145 N -0.14 -4.81 3.64 5.00 0.00 0.55 -5.06 105.19 104.36 3knj n GLY 145 Ca 0.12 -0.53 -0.03 0.00 0.00 0.00 0.00 46.02 45.58 3knj n GLY 145 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3knj s ALA 146 N -2.12 -2.10 -2.45 4.61 0.00 -1.26 -4.72 121.76 113.72 3knj s ALA 146 Ca 0.00 1.86 0.26 0.00 0.00 0.00 0.00 51.96 54.08 3knj s ALA 146 Cb 0.00 -1.44 0.93 0.00 0.00 0.00 0.00 23.12 22.61 3knj s ALA 146 CO 0.00 -0.24 1.67 1.63 0.00 0.00 0.00 175.76 178.82 3knj n LYS 147 N 0.56 1.72 0.00 0.00 4.76 -1.25 -4.97 118.16 118.98 3knj n LYS 147 Ca -0.01 -1.05 0.00 0.00 -2.87 0.00 0.00 58.31 54.38 3knj n LYS 147 Cb 0.59 -1.46 0.00 0.00 -1.84 0.00 0.00 35.03 32.32 3knj n LYS 147 CO 0.00 0.00 0.00 0.41 -1.37 0.00 0.00 177.40 176.44 3knj n GLY 148 N 1.17 1.17 3.58 0.72 0.00 -1.24 -3.18 105.19 107.40 3knj n GLY 148 Ca 0.18 -0.89 -0.08 0.00 0.00 0.00 0.00 46.02 45.24 3knj n GLY 148 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3knj s ALA 149 N -2.00 -1.97 -0.27 4.61 0.00 -1.16 -2.89 121.76 118.07 3knj s ALA 149 Ca 0.00 1.54 -0.26 0.00 0.00 0.00 0.00 51.96 53.24 3knj s ALA 149 Cb 0.00 -0.54 0.16 0.00 0.00 0.00 0.00 23.12 22.74 3knj s ALA 149 CO 0.00 -0.42 1.23 0.21 0.00 0.00 0.00 175.76 176.78 3knj s LYS 150 N -1.69 0.29 0.01 0.00 2.20 0.02 -3.21 119.74 117.36 3knj s LYS 150 Ca 0.03 0.26 -0.07 0.00 -0.36 0.00 0.00 55.97 55.83 3knj s LYS 150 Cb -0.01 0.14 -0.00 0.00 -1.51 0.00 0.00 37.83 36.45 3knj s LYS 150 CO -0.03 -0.05 0.13 0.08 -0.36 0.00 0.00 175.35 175.12 3knj s VAL 151 N -0.19 0.09 -0.03 4.02 1.01 -1.21 -1.22 120.40 122.86 3knj s VAL 151 Ca 0.05 -0.74 -0.00 0.00 0.00 0.00 0.00 61.98 61.28 3knj s VAL 151 Cb -0.04 -0.49 0.03 0.00 0.00 0.00 0.00 36.38 35.88 3knj s VAL 151 CO -0.09 -0.41 0.03 -0.63 0.00 0.00 0.00 175.10 174.00 3knj s ILE 152 N -1.55 0.01 -0.18 2.22 1.01 -0.93 -3.12 121.20 118.66 3knj s ILE 152 Ca -0.14 0.23 0.00 0.00 0.00 0.00 0.00 60.65 60.75 3knj s ILE 152 Cb -0.07 -0.17 0.01 0.00 0.01 0.00 0.00 42.46 42.24 3knj s ILE 152 CO 0.01 0.14 -0.17 -0.69 0.00 0.00 0.00 174.94 174.22 3knj s VAL 153 N 1.39 2.33 0.00 2.92 1.01 -0.85 0.11 120.40 127.31 3knj s VAL 153 Ca -0.05 -0.86 0.00 0.00 0.00 0.00 0.00 61.98 61.08 3knj s VAL 153 Cb -0.13 -1.99 0.00 0.00 0.00 0.00 0.00 36.38 34.26 3knj s VAL 153 CO -0.03 0.52 0.00 -1.54 0.00 0.00 0.00 175.10 174.05 3knj n SER 154 N 4.55 0.00 -4.76 3.32 3.41 -0.72 -0.14 113.62 119.28 3knj n SER 154 Ca -0.20 0.00 -0.26 0.00 -0.26 0.00 0.00 58.87 58.15 3knj n SER 154 Cb 0.50 0.00 -0.06 0.00 -0.26 0.00 0.00 64.21 64.40 3knj n SER 154 CO 0.00 0.00 0.00 -0.83 -0.16 0.00 0.00 175.04 174.05 3knj s GLY 155 N 0.00 1.67 0.00 5.00 0.00 0.22 -3.30 107.32 110.91 3knj s GLY 155 Ca 0.00 -1.30 0.00 0.00 0.00 0.00 0.00 44.72 43.42 3knj s GLY 155 CO 0.00 -1.32 0.00 0.54 0.00 0.00 0.00 173.10 172.32 3knj n ARG 156 N -0.44 0.00 -1.59 2.90 5.12 -1.26 -4.66 116.66 116.73 3knj n ARG 156 Ca -0.08 0.00 -0.55 0.00 -1.93 0.00 0.00 57.85 55.29 3knj n ARG 156 Cb 0.55 0.00 -0.07 0.00 -1.16 0.00 0.00 32.46 31.79 3knj n ARG 156 CO 0.00 0.00 0.00 -0.89 -1.93 0.00 0.00 177.63 174.81 3knj n ILE 157 N -1.69 0.03 -0.23 0.55 5.41 -1.26 0.78 119.36 122.96 3knj n ILE 157 Ca 0.00 -0.01 0.00 0.00 1.00 0.00 0.00 62.75 63.74 3knj n ILE 157 Cb 0.00 -0.68 0.00 0.00 -0.71 0.00 0.00 39.64 38.25 3knj n ILE 157 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 176.55 177.16 3knj n GLY 158 N 2.54 2.10 1.16 7.39 0.00 -1.26 -3.39 105.19 113.72 3knj n GLY 158 Ca 0.20 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.22 3knj n GLY 158 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 3knj n GLY 159 N -2.00 0.89 3.90 -0.02 0.00 0.23 -5.08 105.19 103.11 3knj n GLY 159 Ca 0.00 -0.57 -0.31 0.00 0.00 0.00 0.00 46.02 45.15 3knj n GLY 159 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3knj s ALA 160 N -2.00 3.71 -1.80 4.61 0.00 -1.22 -4.99 121.76 120.08 3knj s ALA 160 Ca 0.00 -0.53 0.00 0.00 0.00 0.00 0.00 51.96 51.43 3knj s ALA 160 Cb 0.00 -2.21 0.00 0.00 0.00 0.00 0.00 23.12 20.91 3knj s ALA 160 CO 0.00 0.53 0.54 -1.91 0.00 0.00 0.00 175.76 174.92 3knj n GLU 161 N -0.25 0.60 -3.56 0.00 2.13 -1.26 -4.39 120.64 113.92 3knj n GLU 161 Ca -0.02 0.00 -0.34 0.00 0.66 0.00 0.00 57.16 57.46 3knj n GLU 161 Cb 0.52 -1.06 -0.07 0.00 0.27 0.00 0.00 31.44 31.11 3knj n GLU 161 CO 0.00 0.00 0.00 0.94 -0.41 0.00 0.00 177.13 177.66 3knj n GLN 162 N -0.36 2.74 -1.32 5.31 -0.06 -1.26 -5.03 117.38 117.40 3knj n GLN 162 Ca 0.00 -4.53 -0.55 0.00 -2.00 0.00 0.00 57.00 49.93 3knj n GLN 162 Cb 0.03 -2.38 -0.13 0.00 -4.06 0.00 0.00 30.24 23.70 3knj n GLN 162 CO 0.00 0.00 0.00 0.00 -0.20 0.00 0.00 177.06 176.86 3knj n ALA 163 N 1.87 0.24 -2.63 1.69 0.00 -1.26 -4.48 120.51 115.94 3knj n ALA 163 Ca 0.24 0.06 0.00 0.00 0.00 0.00 0.00 53.44 53.73 3knj n ALA 163 Cb 0.37 -2.13 0.00 0.00 0.00 0.00 0.00 19.45 17.69 3knj n ALA 163 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 177.50 178.04 3knj n ARG 164 N 7.77 3.25 -3.46 0.00 1.74 -1.26 -4.77 116.66 119.94 3knj n ARG 164 Ca 0.58 0.00 -0.13 0.00 -0.77 0.00 0.00 57.85 57.53 3knj n ARG 164 Cb -0.02 0.00 -0.11 0.00 -1.02 0.00 0.00 32.46 31.31 3knj n ARG 164 CO 0.00 0.00 0.00 0.99 -1.52 0.00 0.00 177.63 177.10 3knj s THR 165 N 1.31 -0.48 -0.35 0.55 2.01 -1.21 -0.61 115.64 116.87 3knj s THR 165 Ca 0.00 -0.03 -0.16 0.00 0.31 0.00 0.00 61.69 61.81 3knj s THR 165 Cb 0.00 -0.71 -0.01 0.00 0.01 0.00 0.00 72.50 71.79 3knj s THR 165 CO 0.00 -0.11 0.39 -0.70 -0.69 0.00 0.00 174.62 173.51 3knj s GLU 166 N 2.45 3.56 -0.06 4.92 2.56 0.81 -4.96 118.70 127.97 3knj s GLU 166 Ca 0.08 -0.38 0.05 0.00 0.00 0.00 0.00 54.97 54.72 3knj s GLU 166 Cb -0.15 -3.81 -0.02 0.00 2.00 0.00 0.00 34.13 32.15 3knj s GLU 166 CO -0.13 -0.56 -0.21 -0.46 -0.56 0.00 0.00 175.26 173.34 3knj s TRP 167 N 2.09 2.54 -0.30 5.30 -0.00 -1.26 -2.01 118.94 125.30 3knj s TRP 167 Ca 0.13 -0.56 -0.12 0.00 -0.00 0.00 0.00 56.10 55.56 3knj s TRP 167 Cb -0.16 -1.63 0.16 0.00 -0.00 0.00 0.00 33.47 31.84 3knj s TRP 167 CO 0.12 -0.11 0.89 0.00 -0.00 0.00 0.00 176.95 177.85 3knj s ALA 168 N -0.26 -2.66 0.08 5.86 0.00 -1.18 -5.07 121.76 118.52 3knj s ALA 168 Ca 0.00 1.96 0.01 0.00 0.00 0.00 0.00 51.96 53.94 3knj s ALA 168 Cb -0.13 -2.10 -0.04 0.00 0.00 0.00 0.00 23.12 20.85 3knj s ALA 168 CO 0.03 -1.09 -0.06 0.00 0.00 0.00 0.00 175.76 174.64 3knj s ALA 169 N 2.67 0.81 -0.02 0.00 0.00 -1.26 -3.31 121.76 120.64 3knj s ALA 169 Ca 0.00 -1.24 0.01 0.00 0.00 0.00 0.00 51.96 50.74 3knj s ALA 169 Cb -0.09 0.17 0.01 0.00 0.00 0.00 0.00 23.12 23.21 3knj s ALA 169 CO -0.17 -0.24 -0.03 -1.14 0.00 0.00 0.00 175.76 174.17 3knj s GLN 170 N -3.56 0.49 0.00 0.00 0.74 -1.20 -5.04 119.66 111.09 3knj s GLN 170 Ca 0.08 -0.08 0.00 0.00 0.05 0.00 0.00 55.36 55.40 3knj s GLN 170 Cb 0.04 -0.53 0.00 0.00 1.10 0.00 0.00 33.01 33.62 3knj s GLN 170 CO -0.05 -0.01 0.00 0.41 -0.55 0.00 0.00 175.29 175.08 3knj n GLY 171 N 3.58 0.35 3.04 2.59 0.00 -1.26 -3.00 105.19 110.49 3knj n GLY 171 Ca -0.20 -1.36 -0.11 0.00 0.00 0.00 0.00 46.02 44.35 3knj n GLY 171 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 3knj s ARG 172 N 0.00 0.28 -0.37 1.61 1.81 -1.19 -5.01 118.95 116.08 3knj s ARG 172 Ca 0.00 0.72 0.02 0.00 -1.72 0.00 0.00 55.73 54.75 3knj s ARG 172 Cb 0.00 -0.18 0.15 0.00 -0.45 0.00 0.00 34.95 34.48 3knj s ARG 172 CO 0.00 -0.44 0.27 0.08 -0.68 0.00 0.00 175.30 174.54 3knj s VAL 173 N 2.52 0.15 -1.07 3.52 1.01 -1.26 -4.29 120.40 120.98 3knj s VAL 173 Ca 0.05 -1.96 -0.20 0.00 0.00 0.00 0.00 61.98 59.86 3knj s VAL 173 Cb -0.14 -1.11 0.08 0.00 0.00 0.00 0.00 36.38 35.22 3knj s VAL 173 CO -0.13 -1.03 1.45 -2.16 0.00 0.00 0.00 175.10 173.23 3knj s PRO 174 N 0.75 3.71 0.00 2.72 0.04 -1.26 -4.81 135.00 136.15 3knj s PRO 174 Ca 0.23 -1.53 0.08 0.00 0.04 0.00 0.00 61.00 59.82 3knj s PRO 174 Cb -0.13 -5.29 0.46 0.00 0.04 0.00 0.00 34.50 29.58 3knj s PRO 174 CO -0.06 -2.10 0.88 1.28 0.04 0.00 0.00 177.00 177.04 3knj n LEU 175 N 8.09 0.00 -0.07 -3.56 4.32 -1.26 -1.32 117.00 123.20 3knj n LEU 175 Ca 0.35 0.00 -0.11 0.00 -0.02 0.00 0.00 56.01 56.23 3knj n LEU 175 Cb 0.49 0.00 -0.15 0.00 -1.62 0.00 0.00 43.42 42.14 3knj n LEU 175 CO 0.65 0.00 -0.96 1.41 -1.22 0.00 0.00 177.39 177.27 3knj n HIS 176 N -0.79 0.38 -2.35 -1.77 8.25 -1.26 -4.92 115.22 112.76 3knj n HIS 176 Ca 0.06 0.13 -0.42 0.00 -0.26 0.00 0.00 57.72 57.22 3knj n HIS 176 Cb 0.03 -1.07 -0.03 0.00 1.12 0.00 0.00 29.99 30.04 3knj n HIS 176 CO 0.00 0.00 0.00 0.99 0.64 0.00 0.00 176.34 177.97 3knj s THR 177 N -2.53 3.82 -0.01 1.59 2.01 -0.43 -4.98 115.64 115.11 3knj s THR 177 Ca -0.12 1.31 -0.22 0.00 0.31 0.00 0.00 61.69 62.97 3knj s THR 177 Cb 0.07 -3.84 -0.13 0.00 0.01 0.00 0.00 72.50 68.61 3knj s THR 177 CO 0.80 0.10 0.95 -0.07 -0.69 0.00 0.00 174.62 175.72 3knj h LEU 178 N 6.78 -0.58 -1.56 4.42 -0.00 -1.91 -3.20 115.31 119.26 3knj h LEU 178 Ca -0.42 -0.04 0.23 0.00 -0.00 0.00 0.00 57.88 57.65 3knj h LEU 178 Cb 1.21 0.15 -0.03 0.00 -0.00 0.00 0.00 40.66 41.99 3knj h LEU 178 CO 0.83 -0.17 0.85 0.08 -0.00 0.00 0.00 178.44 180.02 3knj h ARG 179 N -1.11 0.00 0.00 1.13 0.11 -1.93 -3.30 114.38 109.28 3knj h ARG 179 Ca -0.07 0.00 0.00 0.00 0.10 0.00 0.00 59.98 60.01 3knj h ARG 179 Cb 0.58 0.00 0.00 0.00 1.11 0.00 0.00 29.97 31.66 3knj h ARG 179 CO 0.11 0.00 0.00 0.00 0.10 0.00 0.00 179.97 180.18 3knj n ALA 180 N -2.33 0.00 -3.39 0.08 0.00 -1.21 -4.77 120.51 108.90 3knj n ALA 180 Ca 0.17 0.00 -0.14 0.00 0.00 0.00 0.00 53.44 53.46 3knj n ALA 180 Cb 1.11 0.00 0.00 0.00 0.00 0.00 0.00 19.45 20.56 3knj n ALA 180 CO 0.00 0.00 0.00 -1.71 0.00 0.00 0.00 177.50 175.79 3knj n ASN 181 N -3.02 -6.40 -3.95 0.00 5.15 -1.25 -3.97 115.26 101.83 3knj n ASN 181 Ca 0.00 -0.40 -0.24 0.00 -0.60 0.00 0.00 54.58 53.34 3knj n ASN 181 Cb 0.00 -3.50 -0.17 0.00 -0.53 0.00 0.00 39.78 35.58 3knj n ASN 181 CO 0.00 0.00 0.00 -0.63 1.40 0.00 0.00 177.26 178.03 3knj s ILE 182 N -2.84 0.93 -0.08 -1.44 1.01 -1.26 -2.46 121.20 115.06 3knj s ILE 182 Ca 0.05 -0.32 -0.19 0.00 0.00 0.00 0.00 60.65 60.19 3knj s ILE 182 Cb -0.01 -0.90 -0.04 0.00 0.01 0.00 0.00 42.46 41.51 3knj s ILE 182 CO 0.82 0.32 0.53 -0.62 0.00 0.00 0.00 174.94 176.00 3knj s ASP 183 N 1.04 6.80 -0.12 3.58 3.68 -1.07 -4.82 116.67 125.75 3knj s ASP 183 Ca -0.08 0.95 0.00 0.00 2.13 0.00 0.00 52.55 55.55 3knj s ASP 183 Cb -0.14 -2.32 -0.01 0.00 -1.45 0.00 0.00 42.92 38.99 3knj s ASP 183 CO -0.00 0.02 -0.14 -0.47 0.13 0.00 0.00 175.17 174.70 3knj s TYR 184 N 0.40 2.78 0.02 -5.34 5.04 -1.25 -2.06 117.35 116.93 3knj s TYR 184 Ca 0.29 -0.69 0.00 0.00 -2.44 0.00 0.00 57.07 54.23 3knj s TYR 184 Cb -0.16 -1.82 -0.02 0.00 0.35 0.00 0.00 41.96 40.31 3knj s TYR 184 CO 0.13 -0.23 -0.03 0.20 -1.34 0.00 0.00 175.55 174.28 3knj s GLY 185 N 0.33 0.25 -0.16 8.97 0.00 -1.08 -4.35 107.32 111.28 3knj s GLY 185 Ca -0.12 -0.58 -0.11 0.00 0.00 0.00 0.00 44.72 43.92 3knj s GLY 185 CO 0.06 -0.64 0.40 -0.12 0.00 0.00 0.00 173.10 172.79 3knj s PHE 186 N -1.39 -0.52 0.20 1.90 5.36 -1.26 -0.22 117.98 122.06 3knj s PHE 186 Ca -0.15 1.17 0.08 0.00 -0.96 0.00 0.00 56.93 57.07 3knj s PHE 186 Cb -0.10 0.20 -0.05 0.00 -0.34 0.00 0.00 43.02 42.74 3knj s PHE 186 CO -0.01 -0.28 -0.16 0.00 -1.46 0.00 0.00 175.22 173.31 3knj s ALA 187 N 0.88 2.06 -0.00 11.12 0.00 -1.01 -4.92 121.76 129.89 3knj s ALA 187 Ca -0.05 -1.62 -0.00 0.00 0.00 0.00 0.00 51.96 50.28 3knj s ALA 187 Cb -0.06 -0.13 -0.00 0.00 0.00 0.00 0.00 23.12 22.93 3knj s ALA 187 CO -0.07 0.13 0.14 -0.07 0.00 0.00 0.00 175.76 175.89 3knj h LEU 188 N 2.76 -0.01 -0.05 0.00 -0.00 -1.92 -2.62 115.31 113.47 3knj h LEU 188 Ca -0.39 0.00 0.00 0.00 -0.00 0.00 0.00 57.88 57.49 3knj h LEU 188 Cb 1.22 0.00 0.00 0.00 -0.00 0.00 0.00 40.66 41.88 3knj h LEU 188 CO 0.58 0.01 0.00 0.00 -0.00 0.00 0.00 178.44 179.04 3knj n ALA 189 N -2.04 -0.05 -3.58 1.53 0.00 -1.26 -3.09 120.51 112.02 3knj n ALA 189 Ca -0.00 0.00 -0.39 0.00 0.00 0.00 0.00 53.44 53.05 3knj n ALA 189 Cb 0.00 0.00 -0.06 0.00 0.00 0.00 0.00 19.45 19.40 3knj n ALA 189 CO 0.00 0.00 0.00 1.03 0.00 0.00 0.00 177.50 178.53 3knj s ARG 190 N -0.41 3.26 0.00 0.00 0.52 -1.26 -3.60 118.95 117.46 3knj s ARG 190 Ca 0.00 -2.97 0.00 0.00 -0.52 0.00 0.00 55.73 52.24 3knj s ARG 190 Cb 0.00 -4.04 0.00 0.00 0.52 0.00 0.00 34.95 31.43 3knj s ARG 190 CO 0.00 -1.24 0.00 0.25 0.02 0.00 0.00 175.30 174.33 3knj n THR 191 N 2.90 0.00 0.33 0.02 -2.24 -1.26 -5.06 114.28 108.97 3knj n THR 191 Ca 0.17 0.00 0.04 0.00 -2.27 0.00 0.00 64.05 61.99 3knj n THR 191 Cb 0.39 0.00 -0.00 0.00 -2.10 0.00 0.00 70.33 68.62 3knj n THR 191 CO 0.00 0.00 0.00 0.41 -0.57 0.00 0.00 175.07 174.91 3knj n THR 192 N 0.00 0.00 -3.56 4.28 -1.04 -1.26 -4.75 114.28 107.95 3knj n THR 192 Ca 0.00 -0.42 -0.27 0.00 -2.04 0.00 0.00 64.05 61.32 3knj n THR 192 Cb 0.00 1.09 -0.09 0.00 -1.82 0.00 0.00 70.33 69.50 3knj n THR 192 CO 0.00 0.00 0.00 0.00 -0.64 0.00 0.00 175.07 174.43 3knj n TYR 193 N -0.33 2.71 -2.76 -1.42 0.18 -1.26 -5.05 117.16 109.24 3knj n TYR 193 Ca 0.03 -4.08 0.02 0.00 1.88 0.00 0.00 57.90 55.75 3knj n TYR 193 Cb 0.16 -0.49 -0.01 0.00 -0.38 0.00 0.00 39.34 38.62 3knj n TYR 193 CO 0.00 0.00 0.00 0.41 -2.08 0.00 0.00 176.86 175.19 3knj n GLY 194 N 1.46 -1.93 0.00 -7.48 0.00 -1.26 -4.96 105.19 91.02 3knj n GLY 194 Ca 0.26 -1.35 0.00 0.00 0.00 0.00 0.00 46.02 44.92 3knj n GLY 194 CO 0.00 0.00 0.00 -0.62 0.00 0.00 0.00 173.32 172.70 3knj n VAL 195 N -1.11 0.00 -0.01 1.61 0.31 -1.26 -4.23 118.33 113.64 3knj n VAL 195 Ca 0.00 0.00 0.00 0.00 -0.01 0.00 0.00 64.34 64.33 3knj n VAL 195 Cb 0.08 0.00 0.00 0.00 -0.91 0.00 0.00 33.84 33.01 3knj n VAL 195 CO 0.00 0.00 0.00 -0.11 -1.32 0.00 0.00 176.83 175.40 3knj n LEU 196 N 0.00 0.00 0.00 7.52 -0.00 -1.24 -4.87 117.00 118.42 3knj n LEU 196 Ca 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 56.01 56.01 3knj n LEU 196 Cb 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 43.42 43.42 3knj n LEU 196 CO 0.00 0.00 0.00 0.61 -0.00 0.00 0.00 177.39 178.00 3knj n GLY 197 N 0.00 -1.83 3.64 -3.96 0.00 -1.18 -4.79 105.19 97.07 3knj n GLY 197 Ca 0.00 0.92 -0.40 0.00 0.00 0.00 0.00 46.02 46.53 3knj n GLY 197 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 3knj s VAL 198 N 0.00 5.01 0.17 1.61 1.01 -0.99 -1.76 120.40 125.45 3knj s VAL 198 Ca 0.00 1.13 0.09 0.00 0.00 0.00 0.00 61.98 63.20 3knj s VAL 198 Cb 0.00 -3.93 -0.04 0.00 0.00 0.00 0.00 36.38 32.41 3knj s VAL 198 CO 0.00 0.06 -0.14 -0.54 0.00 0.00 0.00 175.10 174.49 3knj s LYS 199 N 2.26 1.92 -0.01 2.72 1.02 0.12 -2.42 119.74 125.35 3knj s LYS 199 Ca 0.27 -1.31 0.01 0.00 0.02 0.00 0.00 55.97 54.95 3knj s LYS 199 Cb -0.16 -2.09 0.01 0.00 -0.52 0.00 0.00 37.83 35.08 3knj s LYS 199 CO 0.09 0.43 -0.01 0.00 -0.92 0.00 0.00 175.35 174.95 3knj s ALA 200 N -1.63 0.21 -0.09 5.17 0.00 0.70 -2.19 121.76 123.94 3knj s ALA 200 Ca 0.23 0.04 0.01 0.00 0.00 0.00 0.00 51.96 52.25 3knj s ALA 200 Cb -0.09 -0.16 0.02 0.00 0.00 0.00 0.00 23.12 22.89 3knj s ALA 200 CO 0.13 -0.01 -0.10 0.71 0.00 0.00 0.00 175.76 176.49 3knj s TYR 201 N 0.44 1.47 -0.21 0.00 4.12 -0.36 -2.65 117.35 120.17 3knj s TYR 201 Ca -0.04 -0.64 -0.00 0.00 0.02 0.00 0.00 57.07 56.40 3knj s TYR 201 Cb -0.07 -1.15 0.06 0.00 -1.52 0.00 0.00 41.96 39.28 3knj s TYR 201 CO -0.01 -0.40 -0.03 0.42 0.02 0.00 0.00 175.55 175.55 3knj s ILE 202 N 1.18 1.18 0.27 2.71 1.01 -0.88 -0.79 121.20 125.88 3knj s ILE 202 Ca -0.05 -0.92 -0.29 0.00 0.00 0.00 0.00 60.65 59.39 3knj s ILE 202 Cb -0.14 -1.49 -0.09 0.00 0.01 0.00 0.00 42.46 40.74 3knj s ILE 202 CO -0.02 -0.08 1.03 0.12 0.00 0.00 0.00 174.94 175.99 3knj s PHE 203 N 1.56 3.73 0.00 3.97 5.36 -1.14 -2.61 117.98 128.86 3knj s PHE 203 Ca -0.03 1.79 0.00 0.00 -0.96 0.00 0.00 56.93 57.73 3knj s PHE 203 Cb -0.18 -3.15 0.00 0.00 -0.34 0.00 0.00 43.02 39.36 3knj s PHE 203 CO -0.07 -0.14 0.00 1.28 -1.46 0.00 0.00 175.22 174.84 3knj n LEU 204 N 1.23 0.00 -4.96 6.12 4.77 -1.03 -3.73 117.00 119.41 3knj n LEU 204 Ca -0.01 0.00 -0.22 0.00 -0.03 0.00 0.00 56.01 55.75 3knj n LEU 204 Cb 0.46 0.00 0.02 0.00 -2.33 0.00 0.00 43.42 41.57 3knj n LEU 204 CO 0.52 0.00 0.29 -0.83 -1.33 0.00 0.00 177.39 176.04 3knj s GLY 205 N 0.00 1.67 0.00 -0.72 0.00 -1.26 -4.43 107.32 102.58 3knj s GLY 205 Ca 0.00 -1.19 0.00 0.00 0.00 0.00 0.00 44.72 43.53 3knj s GLY 205 CO 0.00 -0.99 0.00 -2.21 0.00 0.00 0.00 173.10 169.90 3knj n GLU 206 N -2.14 0.00 0.00 2.90 2.13 -1.26 -4.41 120.64 117.87 3knj n GLU 206 Ca 0.04 0.00 0.00 0.00 0.66 0.00 0.00 57.16 57.86 3knj n GLU 206 Cb 0.58 0.00 0.00 0.00 0.27 0.00 0.00 31.44 32.29 3knj n GLU 206 CO 0.00 0.00 0.00 0.28 -0.41 0.00 0.00 177.13 177.00 3knj n VAL 207 N 0.00 0.00 0.00 6.31 0.31 -1.26 -4.80 118.33 118.89 3knj n VAL 207 Ca 0.00 0.00 0.00 0.00 -0.01 0.00 0.00 64.34 64.33 3knj n VAL 207 Cb 0.00 0.00 0.00 0.00 -0.91 0.00 0.00 33.84 32.93 3knj n VAL 207 CO 0.00 0.00 0.00 2.30 -1.32 0.00 0.00 176.83 177.81